(5-bromothiophen-3-yl)-[2-(chloromethyl)pyrrolidin-1-yl]methanone

C10H11BrClNOS — CID 107965880

IUPAC(5-bromothiophen-3-yl)-[2-(chloromethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1csc(Br)c1)N1CCCC1CCl
InChIInChI=1S/C10H11BrClNOS/c11-9-4-7(6-15-9)10(14)13-3-1-2-8(13)5-12/h4,6,8H,1-3,5H2
InChIKeyFVNGZGGVEDUJGX-UHFFFAOYSA-N
MW308.63 g/mol
LogP3.35
Rot. Bonds2

About (5-bromothiophen-3-yl)-[2-(chloromethyl)pyrrolidin-1-yl]methanone

(5-bromothiophen-3-yl)-[2-(chloromethyl)pyrrolidin-1-yl]methanone (PubChem CID 107965880) has the molecular formula C10H11BrClNOS and a molecular weight of 308.63 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-[2-(chloromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-[2-(chloromethyl)pyrrolidin-1-yl]methanone
PubChem CID107965880
Molecular FormulaC10H11BrClNOS
Molecular Weight308.63 g/mol
Exact Mass306.94
IUPAC Name(5-bromothiophen-3-yl)-[2-(chloromethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1csc(Br)c1)N1CCCC1CCl
InChIInChI=1S/C10H11BrClNOS/c11-9-4-7(6-15-9)10(14)13-3-1-2-8(13)5-12/h4,6,8H,1-3,5H2
InChIKeyFVNGZGGVEDUJGX-UHFFFAOYSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.63
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(5-bromothiophen-3-yl)-[2-(chloromethyl)azepan-1-yl]methanone
CID 107966335
[2-(chloromethyl)pyrrolidin-1-yl]-(3,5-dibromophenyl)methanone
CID 107974810
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(5-bromothiophen-3-yl)methanone
CID 66849695
[2-(chloromethyl)pyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 63394765
[2-(chloromethyl)pyrrolidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63394259
[2-(chloromethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 63394223
1-(5-bromothiophene-3-carbonyl)azepane-2-carboxylic acid
CID 64560879
[2-(chloromethyl)pyrrolidin-1-yl]-(2,5-dibromophenyl)methanone
CID 114375617
[2-(chloromethyl)pyrrolidin-1-yl]-(2,4-dibromophenyl)methanone
CID 107941005
[2-(chloromethyl)pyrrolidin-1-yl]-(4-ethylphenyl)methanone
CID 55186866
(3-bromo-4-fluorophenyl)-[2-(chloromethyl)azepan-1-yl]methanone
CID 107956864
(3-bromo-4-methylphenyl)-[2-(chloromethyl)azepan-1-yl]methanone
CID 116639169

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-[2-(chloromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-bromothiophen-3-yl)-[2-(chloromethyl)pyrrolidin-1-yl]methanone (CID 107965880) is (5-bromothiophen-3-yl)-[2-(chloromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-[2-(chloromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-[2-(chloromethyl)pyrrolidin-1-yl]methanone is O=C(c1csc(Br)c1)N1CCCC1CCl.
What is the InChIKey of (5-bromothiophen-3-yl)-[2-(chloromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is FVNGZGGVEDUJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNOS/c11-9-4-7(6-15-9)10(14)13-3-1-2-8(13)5-12/h4,6,8H,1-3,5H2.
What are the key properties of (5-bromothiophen-3-yl)-[2-(chloromethyl)pyrrolidin-1-yl]methanone?
(5-bromothiophen-3-yl)-[2-(chloromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 308.63 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-[2-(chloromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 107965880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).